README_run.sh
16eed7a05366lammm-master-deprecated

README_run.sh
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			# --- Running LAMMPS ---
			# -- Prerequisites: --
			# The "run.in.nvt" file is a LAMMPS input script containing
			# references to the input scripts and data files
			# you hopefully have created earlier with moltemplate.sh:
			# system.in.init, system.in.settings, system.data, and table_int.dat
			# If not, carry out the instructions in "README_setup.sh".
			#
			# -- Instructions: --
			# If "lmp_mpi" is the name of the command you use to invoke lammps,
			# then you would run lammps on these files this way:


			lmp_mpi -i run.in.npt # Run a simulation at constant pressure (tension)

			#or

			lmp_mpi -i run.in.nvt # Run a simulation at constant volume

			#(Note: The constant volume simulation lacks pressure equilibration. These are
			# completely separate simulations. The results of the constant pressure
			# simulation are ignored when beginning the simulation at constant volume.
			# This can be fixed. Read "run.in.nvt" for equilibration instructions.)





			# If you have compiled the MPI version of lammps, you can run lammps in parallel
			#mpirun -np 4 lmp_mpi -i run.in.npt
			#or
			#mpirun -np 4 lmp_mpi -i run.in.nvt
			# (assuming you have 4 processors available)